chempirical

2-(2,5-Dimethylphenyl)-2-hydroxyacetic acid

C10H12O3CAS 5766-40-5180.20 g/mol

Open in Covalent MOL file
OOHHO
AlcoholCarboxylic acid

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.42Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5766-40-5
SMILES
CC1=CC(=C(C=C1)C)C(C(=O)O)O
InChIKey
RJKPCVWDAMENNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-6-3-4-7(2)8(5-6)9(11)10(12)13/h3-5,9,11H,1-2H3,(H,12,13)

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Names and synonyms

5 names
  • (2,5-Dimethylphenyl)(hydroxy)acetic acid
  • 2,5-Dimethylmandelic acid
  • 2.5-Dimethylmandelic acid
  • 2-(2,5-Dimethylphenyl)-2-hydroxy-acetic acid
  • Acetic acid, 2-(2,5-dimethylphenyl)-2-hydroxy-

Reactions

Work with 2-(2,5-Dimethylphenyl)-2-hydroxyacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloromandelic acid10421-85-948 % similar (-)-2-Chloromandelic acid52950-18-248 % similar (S)-2-Chloromandelic acid52950-19-348 % similar 2,5-Dimethylbenzoic acid610-72-046 % similar 2,4-Difluoromandelic acid132741-30-144 % similar 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-044 % similar 2,5-Dimethylbenzeneacetic acid13612-34-543 % similar 2,4-Dimethylbenzoic acid611-01-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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